1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-amine

C14H23NO2 — CID 102927761

IUPAC1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCC(N)c1cccc(C)c1C
InChIInChI=1S/C14H23NO2/c1-11-5-4-6-13(12(11)2)14(15)7-8-17-10-9-16-3/h4-6,14H,7-10,15H2,1-3H3
InChIKeyVDHGPNSPSVVDST-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.36
Rot. Bonds7

About 1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-amine

1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-amine (PubChem CID 102927761) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-amine
PubChem CID102927761
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-amine
SMILESCOCCOCCC(N)c1cccc(C)c1C
InChIInChI=1S/C14H23NO2/c1-11-5-4-6-13(12(11)2)14(15)7-8-17-10-9-16-3/h4-6,14H,7-10,15H2,1-3H3
InChIKeyVDHGPNSPSVVDST-UHFFFAOYSA-N
XLogP2.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(2,3-dimethylphenyl)-2-methoxyethanamine
CID 55291597
(1R)-1-(2,3-dimethylphenyl)propane-1,3-diamine
CID 130869283
(1S)-1-(2,3-dimethylphenyl)propane-1,3-diamine;hydrochloride
CID 171222107
3-(2-methoxyethoxy)-1-(4-methyl-3-pyridinyl)propan-1-amine
CID 102927950
1-(2,3-dimethylphenyl)-2-(2-methoxyethoxy)-N-methylethanamine
CID 114032782
(1R)-1-(2,3-dimethylphenyl)hexan-1-amine
CID 171202560
1-(2,3-dimethylphenyl)dodecan-1-amine;hydrate
CID 173447782
1-(2,3-dimethylphenyl)-3-methylbutan-1-amine
CID 584234
1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-one
CID 102927472
1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105024239
2-amino-1-(2,3-dimethylphenyl)-4-methoxybutan-1-one
CID 116567259
1-[1-[2-(2,3-dimethylphenyl)propoxy]propan-2-yl]-2,3-dimethylbenzene
CID 139620265

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-amine (CID 102927761) is 1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-amine is COCCOCCC(N)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-amine?
The InChIKey is VDHGPNSPSVVDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11-5-4-6-13(12(11)2)14(15)7-8-17-10-9-16-3/h4-6,14H,7-10,15H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-amine?
1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-amine is sourced from PubChem (CID 102927761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).